N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide

C20H21F3N2O2 — CID 108968157

IUPACN-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
SMILESCc1cccc(NC(=O)C(C)(C)C(=O)Nc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C20H21F3N2O2/c1-12-7-5-10-16(13(12)2)25-18(27)19(3,4)17(26)24-15-9-6-8-14(11-15)20(21,22)23/h5-11H,1-4H3,(H,24,26)(H,25,27)
InChIKeyBQYCMHSCGUWSCN-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.93
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide

N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108968157) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
PubChem CID108968157
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
SMILESCc1cccc(NC(=O)C(C)(C)C(=O)Nc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C20H21F3N2O2/c1-12-7-5-10-16(13(12)2)25-18(27)19(3,4)17(26)24-15-9-6-8-14(11-15)20(21,22)23/h5-11H,1-4H3,(H,24,26)(H,25,27)
InChIKeyBQYCMHSCGUWSCN-UHFFFAOYSA-N
XLogP4.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108969164
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108968156
2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108957311
N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108969461
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
3-[[2-(2,3-dimethylanilino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54815970
N'-(2,3-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54809449
1-(2,3-dimethylphenyl)-3-[3-(trifluoromethyl)anilino]thiourea
CID 8625972
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294
1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 170254167
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide (CID 108968157) is N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide is Cc1cccc(NC(=O)C(C)(C)C(=O)Nc2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is BQYCMHSCGUWSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-12-7-5-10-16(13(12)2)25-18(27)19(3,4)17(26)24-15-9-6-8-14(11-15)20(21,22)23/h5-11H,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide?
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 378.39 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108968157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).